SCHEMBL9750171

SCHEMBL9750171

COc1ccccc1/C(=C/C(/C=C(\c1ccc(N(C)C)cc1)c1ccccc1OC)CC(=O)CC(C)=O)c1ccc(N(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 5/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.38
CTSD P07339 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9750086 0.84 ALDH1A1 (0.42) MAPTHTTRAB9ANPC1ALDH1A1
SCHEMBL9750072 0.83 MAPT (0.47) MAPTLMNAHTTRAB9ANPC1
SCHEMBL9750173 0.82 MAPT (0.46) MAPTLMNAHTTNPSR1RAB9A
SCHEMBL7601515 0.71 MAPT (0.69) MAPTLMNAHTTNPSR1RAB9A
SCHEMBL9749600 0.69 RAB9A (0.53) MAPTLMNAHTTNPSR1RAB9A
SCHEMBL9750427 0.68 MAPT (0.42) MAPTLMNAHTTNPSR1RAB9A
SCHEMBL9839720 0.67 EGFR (0.39) MAPTLMNAALDH1A1TP53KMT2A
SCHEMBL22074243 0.67 L3MBTL1 (0.48) MAPTLMNAHTTNPSR1RAB9A
SCHEMBL29500532 0.67 L3MBTL1 (0.48) MAPTLMNAHTTNPSR1RAB9A
SCHEMBL9750077 0.66 MAPT (0.53) MAPTLMNARAB9ANPC1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed